Abstract
Molecular Interaction Studies between Methylamine and 2-Nitrobenzoic Acid by Quantum Chemical Calculation (FT-IR, FMO, GCRD, MEP, NLO) and Dielectric Relaxation Analysis
Highlights
Studying molecular interactions between binary or ternary mixtures, especially determining intermolecular and intramolecular forces of attraction are playing an important role, because they are helpful in determining the molecular properties like their density, viscosity, boiling point, melting point, vaporization and fusion enthalpies
We explicitly focused on determining intermolecular interactions between methylamine and 2nitrobenzoic acid
For ma2nba molecule, the optimized molecular geometry, FMO, Global chemical reactivity descriptor (GCRD), Molecular electrostatic potential (MEP), Nonlinear optical (NLO) have been theoretically calculated in ground state
Summary
Studying molecular interactions between binary or ternary mixtures, especially determining intermolecular and intramolecular forces of attraction are playing an important role, because they are helpful in determining the molecular properties like their density, viscosity, boiling point, melting point, vaporization and fusion enthalpies. We explicitly focused on determining intermolecular interactions between methylamine and 2nitrobenzoic acid. 2nitrobenzoic acid is engaged as a synthetic reagent and can function as a growth supplement for pseudomonas fluorescens strain KU-7. It is used as a reagent for protecting amine groups in the organic synthesis [4,5].
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